SCHEMBL9015810

SCHEMBL9015810

CC(c1ccccc1)(c1ccccc1)C(CC1CO1)CC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
CHRM3 P20309 9/20 0.35
CHRM2 P08172 8/20 0.35
CHRM4 P08173 8/20 0.35
CHRM1 P11229 8/20 0.35
CHRM5 P08912 7/20 0.35
GLA P06280 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
DHFR P00374 1/20 0.33
MAPK1 P28482 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30741081 0.83 ESR1 (0.39) MEN1KMT2ATSHRTP53MAPT
SCHEMBL28897220 0.77 MEN1 (0.39) MEN1KMT2ATDP1TSHRALDH1A1
SCHEMBL28798005 0.72 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL7151905 0.69 MEN1 (0.47) MEN1KMT2ATDP1TSHRTP53
SCHEMBL5495958 0.69 TDP1 (0.45) MEN1KMT2ATDP1TSHRHPGD
SCHEMBL52157 0.68 TAAR1 (0.53) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL6218838 0.68 MEN1 (0.36) MEN1KMT2ATDP1TAAR1
SCHEMBL28456804 0.68 KMT2A (0.43) MEN1KMT2ATDP1TSHRTP53
SCHEMBL2466622 0.68 MEN1 (0.36) MEN1KMT2ATDP1CYP1A2TAAR1
SCHEMBL28456800 0.68 CHRM2 (0.41) MEN1KMT2ATDP1ALDH1A1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556935-A POLYURETHANE, POLYCARBODIIMIDE, POLYEPOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US claimed
US-5556935-A POLYURETHANE, POLYCARBODIIMIDE, POLYEPOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed